(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol

C9H16O2 — CID 130762528

IUPAC(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol
SMILESC[C@]12CCC[C@@]1(O)[C@H](CO)C2
InChIInChI=1S/C9H16O2/c1-8-3-2-4-9(8,11)7(5-8)6-10/h7,10-11H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyWWOSYVVFVOCGPT-DJLDLDEBSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds1

About (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol

(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol (PubChem CID 130762528) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol.

Molecular Properties

Compound Name(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol
PubChem CID130762528
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol
SMILESC[C@]12CCC[C@@]1(O)[C@H](CO)C2
InChIInChI=1S/C9H16O2/c1-8-3-2-4-9(8,11)7(5-8)6-10/h7,10-11H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKeyWWOSYVVFVOCGPT-DJLDLDEBSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-spiro[2.3]hexan-2-yl]methanol
CID 129372224
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
CID 163112005
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
2-(hydroxymethyl)-1,5,5-trimethylcyclohexan-1-ol
CID 130122085
trans-(1R,2S)-2-(hydroxymethyl)-1,5,5-trimethylcycloheptan-1-ol
CID 14359263
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
CID 130369263
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol?
The IUPAC name of (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol (CID 130762528) is (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol.
What is the SMILES notation for (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol?
The canonical SMILES for (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol is C[C@]12CCC[C@@]1(O)[C@H](CO)C2.
What is the InChIKey of (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol?
The InChIKey is WWOSYVVFVOCGPT-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-3-2-4-9(8,11)7(5-8)6-10/h7,10-11H,2-6H2,1H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol?
(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol is sourced from PubChem (CID 130762528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).